smiles stringlengths 6 131 |
|---|
CC[C@]1(NC(=O)[C@@H]2CNC(=O)C2)CCCN(C(=O)c2c(Cl)cc(C)cc2Cl)C1 |
Cc1cnc(F)c(-c2ccc(C3(C(=O)NCc4ncccn4)CC3)cc2F)c1 |
Cn1ccc(C(=O)N2CCC3(CCOCC3)[C@@H](NC(=O)c3ccncc3Cl)C2)c1 |
CCN(C)C(=O)OCCNc1ncnc(N[C@H]2CCc3ncsc3C2)c1C |
Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)C2)cn1 |
CCCSCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccc(F)c(CN(C)C)c1 |
COc1c(C(=O)N[C@H](C)[C@H]2CCCN(CC3CCC(C)(C)CC3)C2)c(C)nn1C |
C#Cc1cnc(C(=O)N[C@@H]2CC[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c(C)c1 |
CC[C@](C)(CNC(=O)c1ccc(COC)s1)NC(=O)C1=NO[C@@H](C)[C@@H]1C |
CSc1ccc(O[C@H](C)C(=O)N2CC([C@H](C)NC(=O)[C@H]3CCCCN3C)C2)cc1 |
C[C@@H](Cc1ccc(F)cc1F)C(=O)N1CCC[C@@H](CNC(=O)C=CBr)CC1 |
C=C[C@H](C)C(=O)NCC(=O)N1CC[C@H](F)[C@H](F)C1 |
CO[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc3C2)C[C@H]1NC(=O)C1CC(C)(C)C1 |
C=Cn1ncc(C(=O)N2CCOC[C@@H]2CC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1N |
CC(C)SCC(=O)N1CC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 |
CC(C)N1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](NC(=O)CCc4nncs4)[C@H]3C2)CC1 |
N#Cc1cnn(CC(=O)N2CCN(C(=O)CN3CC=CC3)C[C@@H](O)C2)c1 |
CC(C)CCCC(=O)Nc1cccc(CNC(=O)c2cccc(C(C)(C)C)n2)c1 |
CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)[C@H](C)CC)C2)[nH]1 |
COC1CC2(C1)CC(C(=O)N1CC(CO)(NC(=O)c3cc(CCCO)on3)C1)C2 |
CCCCC[C@H](O)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C)[C@H]1C |
CC(=O)N[C@@H](COC(C)C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)ccc1Cl |
Cc1scc(C(=O)N[C@H](Cn2cccn2)C(=O)N2CC3(CN(C)C3)C2)c1C |
C=CCC1(NC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CN(C(=O)[C@H](CCC)CCCO)C1 |
CC(C)CSCCC(=O)N(CCO)C1CCN(C(=O)C2CC2(Cl)Cl)C1 |
COC[C@]1(C)CCN1[C@@H](C(=O)NCC(C)C)c1cc(CN(C)C)cs1 |
CCc1noc(CN(C)C(=O)[C@H]2[C@@H](C)CCN2C(=O)c2sccc2C)n1 |
Nc1cc(F)c(F)cc1C(=O)NC1(CNC(=O)c2csc(S)n2)CCCCC1 |
C[C@@H](CC(=O)N(C)CC[C@H]1CCCCN1C(=O)Cc1cnsc1)CC(F)(F)F |
CC(=O)N(C)CC(=O)NC[C@H]1CN(C)CCN1C(=O)[C@@H]1CCO[C@H]1C1CC1 |
COC[C@H]1CC[C@@H]1C(=O)N(CCC(=O)N[C@@H](C)[C@@H](C)F)C(C)C |
C[C@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1csc(=Nc2ccccc2)[nH]1 |
CC1(C(=O)Nc2nc(-c3cc(Br)ccc3F)cs2)C[C@@H]2CC[C@H](C1)S2 |
CCCC1(CO)CCN(C(=O)[C@@H]2C[C@H]3CCN(c4cc(C)cc(C)n4)C[C@H]32)CC1 |
CC(C)=C(C)CC(=O)N1CCC[C@@]2(CCN(C(=O)C(C)(C)CO)C2)C1 |
CN1CCC(CC(=O)NC[C@H]2CC3(CO2)CN(C(=O)Cc2cnc[nH]2)C3)CC1 |
C=CC[C@@H](CNC(=O)Cc1cc(Cl)cc(OC)c1)NC(=O)CCCn1ccnn1 |
CC(C)C[C@H]1CCN([C@@H](C(=O)NCCC2(C)CC2)c2ccc3c(c2F)CCC3)C1 |
C=CCC1(NC(=O)COC[C@@H]2CCOC2)C[C@@H]2CC[C@H](C1)N2C(=O)CCSCC |
C=C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCOc3cc(OC)ccc32)CC1 |
CSc1c(C(=O)N[C@H](C)c2ncc(C)o2)ccc2c1OC(F)(F)O2 |
CC1(C(=O)N[C@H](CC(=O)NCC2CSC2)C(F)F)CC(C#N)C1 |
COC(C)(C)C1(CNC(=O)C2=NO[C@H](CNC(=O)[C@@H]3Cc4nccn4C3)C2)CC1 |
C[C@@H](CCNC(=O)c1ccc(C2CC2)nc1O)NC(=O)C[C@H]1CC[C@@H](C)C1 |
CC(C)C[C@H](O)C(=O)N1CCC[C@@H](N2CCN(C(=O)CCCCCF)CC2=O)C1 |
CC[C@H](C)NC(=O)[C@H]1CCN(C(=O)[C@H]2CC(C)(C)CCO2)CC1(C)C |
CCc1ncncc1C(=O)N[C@H](CC(=O)N(C)CC(C)(F)F)C1CC1 |
CO[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccnc(Cl)c3n2)[C@@H]2CC[C@H]21 |
CC[C@H]1[C@@H](C(=O)NCC(F)(F)Cl)CCN1C(=O)c1cnc(O)c(C)c1 |
Cc1scc(C(=O)N[C@H](CO)C2CCN(C(=O)[C@@H]3C[C@@H]3Cl)CC2)c1C |
CCN(CCCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C2CC2)C1)c1ccccc1 |
C[C@@H]1C[C@H](NC(=O)C2(C)COC2)CN(Cc2ccc(-c3ccccc3)nc2)C1 |
CCC1=C(C(=O)NCC[C@]23CC[C@@H]2CN(C(=O)c2cc(C)c[nH]2)C3)CCCO1 |
C=C[C@@H]1COC[C@@H]1NC(=O)CN(CCC)C(=O)c1c[nH]c(=NC)s1 |
CC(C)N(CCNC(=O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)c1cnc2ncnn2c1O |
C#Cc1cc(F)cc(NC(=O)C(=O)N(CCOC)CCOC)c1 |
CCn1cc(N(C)C(=O)C[C@]23CC[C@H]2CN(C(=O)c2ccc(C)cc2C)C3)cn1 |
C=C=CCCC(=O)N[C@H]1CCN(C(=O)[C@H](COC)N(C)C)[C@H](C)C1 |
CC1CSC2=CC=CC=C2N1S(=O)(=O)C1=NN(C)C=C1 |
CCNC(=O)CCC(=O)N1CC([C@H](C)NC(=O)C2CC3(CCCC3)C2)C1 |
CN1CC2(CC2)C[C@H]1C(=O)NC1(CCCNC(=O)C[C@@H]2CCC(C)(C)C2)CC1 |
Cc1c(C(=O)N[C@H]2CCN(C(=O)CS[C@H]3CCCCO3)[C@@H]2C)cnn1C1CCC1 |
COC[C@H](CCC(F)(F)F)n1nnnc1N1CCc2ccc(NC(C)=O)cc2C1 |
CC(C)(CC#N)C(=O)Nc1ccc(-n2cccn2)cc1 |
CSCc1nc([C@H]2C[C@H]2C)n(-c2cccc(C)c2)n1 |
O=C(C[C@@H]1C[C@H]2C=C[C@H]1C2)NCC[C@@H]1CCCCN1C(=O)C12CC3C[C@H]1[C@H]2C3 |
N#Cc1cnn2cc(CNC3(CCF)CC3)cnc12 |
C#CCCOCC(=O)NCC12CCC(NC(=O)c3cc[nH]c3CC)(CC1)CO2 |
CO[C@@H](C)CCC(=O)N[C@H]1C[C@H](NC(=O)c2ccncn2)C1 |
CO[C@H](CC(C)C)C(=O)NCc1n[nH]cc1C(=O)NCC(=O)NC(C)C |
Cc1cc(C2CC2)ncc1C(=O)NCCCOCCN(C)C(=O)C1(C)CC(C)C1 |
CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)CCN1CCCCC1 |
CCCN(C(=O)c1cc2n(c1)CCOC2)C1CCN(C(=O)[C@@](C)(O)CC)CC1 |
Cc1ccc(CCCCC(=O)N[C@H]2C[C@@H](NC(=O)[C@H](C)C3(O)CCC3)C2)cc1 |
CSCC[C@@H](O)CC(=O)N1CCCC[C@H]1CNC(=O)c1cc[nH]c2nccc1-2 |
Cc1cc(CN[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)c(F)c3F)C[C@@H]2C)c(C)[nH]1 |
C=C=C(C)CC(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(C)C)CC2)C1 |
CCOC(=O)N(C)CC(=O)N1CC[C@]2(C[C@H]2C(=O)NCC#CC(F)(F)F)C1 |
CC1(C(=O)NC[C@@H](CO)CNC(=O)Cc2ccc(Br)cc2F)CC=CC1 |
Cc1ccoc1CC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)c2cccs2)[C@H](C)C1 |
N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(O)nc3)C2=O)cc1 |
Cc1ccc([C@H](C)C(=O)N2CCS[C@H](C(=O)N[C@@H](C)c3ccno3)C2)cc1 |
CC(C)(F)c1cn(C[C@@H](F)C2CN(C(=O)c3cccc4ccoc34)C2)nn1 |
C#CC1(C(=O)NC[C@@H](NC(=O)C2C[C@H]3CCC[C@H](C2)C3)C(C)(C)C)CC1 |
CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 |
CC[C@H](NCc1ncoc1CNC(=O)OC(C)(C)C)c1cccnc1 |
CCOc1ncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)OCc3ccccc3)C2)s1 |
CCc1conc1CC(=O)NC[C@H]1[C@@H](C)CCN1C(=O)c1cnnn1CC |
Cc1cnc(CNC(=O)[C@@H]2CCCCCN2C(=O)c2cc(C)nc(C)c2)c(C)c1 |
CN(C(=O)C1=C[C@@]2(CCN(C(=O)CC3OCCO3)C2)C1)[C@H]1CCCC[C@]1(C)O |
Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc3c(c2)OC(C)(C)O3)c1Cl |
COC(=O)[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CCCN(C(=O)Cc2cnn(C)c2C)CC1 |
CCn1cc(CC(=O)N[C@H]2CCCN(C(=O)c3c(N)cc(C)cc3F)C2)c(C)n1 |
Cc1cncc(OCC(=O)N2C[C@H]3[C@H](CNC(=O)[C@@H]4CCCN4C)[C@H]3C2)n1 |
Cc1cn2cc(NC(=O)[C@H]3C[C@@H]3C3(C)CCOCC3)ccc2n1 |
C#CCCC(=O)N1CC[C@@H](NC(=O)CCCCCCc2ccccc2)[C@H](F)C1 |
O=C(CNCCc1ccccc1)N1CCC[C@@H](C2(C(F)(F)F)N=N2)C1 |
C[C@@H](CN(C)C(=O)C1=CCC(C)(C)CC1)C(=O)NCC[C@@](C)(O)C1CC1 |
CC(C)(C)CC(=O)N1CC2(CCN(C(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)C2)C1 |
CC(C)NC(=O)CN(C)C(=O)[C@H](CC(F)F)NC(=O)COC[C@@H]1CCOC1 |
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